SCHEMBL5544202

SCHEMBL5544202

CCc1cccc2c[c]oc12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.43
GABRB2 P47870 4/20 0.43
CYP2D6 P10635 1/20 0.34
ELANE P08246 4/20 0.33
DAO P14920 1/20 0.33
KCNH2 Q12809 2/20 0.32
SCN5A Q14524 2/20 0.32
MTNR1A P48039 2/20 0.31
MTNR1B P49286 2/20 0.31
XPO1 O14980 1/20 0.31
CACNA1C Q13936 1/20 0.31
F2RL3 Q96RI0 1/20 0.30
MAOA P21397 1/20 0.30
AR P10275 1/20 0.30
AKR1C3 P42330 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19610466 0.85 MTNR1A (0.35) GABRA1GABRB2ELANEDAOMTNR1A
SCHEMBL3093044 0.83 CYP1A2 (0.33) GABRA1GABRB2
SCHEMBL9371792 0.81 CYP1A2 (0.31) GABRA1GABRB2
SCHEMBL3090062 0.76 NPC1 (0.37) KCNH2
SCHEMBL3092049 0.73 SLC5A2 (0.33)
SCHEMBL3084063 0.73 SLC6A4 (0.47) CYP2D6MAOA
SCHEMBL767336 0.73 ADORA3 (0.47)
SCHEMBL5536680 0.71 GABRA1 (0.40) GABRA1GABRB2ELANEDAOMAOA
SCHEMBL5310084 0.69 NPC1 (0.39) CYP2D6
SCHEMBL767227 0.69 ALDH1A1 (0.40) MAOA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
CN-102649973-A Method for preparing optically active (S) -bufuralol by enzyme catalysis NANJING UNIVERSITY OF TECHNOLOGY 2012-08-29 CN disclosed
CN-101255170-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-09-03 CN disclosed
CN-101172981-A 2,3-dihydroimidazo[2,1-b]oxazole compound OTSUKA PHARMA CO LTD (JP) 2008-05-07 CN disclosed
CN-100366624-C 2, 3-dihydro-6-nitroimidazo [2,1-b ] * azole compounds OTSUKA PHARMA CO LTD (JP) 2008-02-06 CN disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
CN-1705670-A 2, 3-dihydro-6-nitroimidazo [2, 1-b ] oxazole compounds OTSUKA PHARMA CO LTD (JP) 2005-12-07 CN disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
EP-0740649-A1 NITROXY GROUP-CONTAINING BENZYLAMINE DERIVATIVES AND THEIR USE FOR TREATING CARDIOVASCULAR DISEASES, AS WELL AS INCREASED INTRA-OCULAR PRESSURE Byk Nederland BV (NL) 1996-11-06 EP disclosed
WO-1995019952-A1 NITROXY GROUP-CONTAINING BENZYLAMINE DERIVATIVES AND THEIR USE FOR TREATING CARDIOVASCULAR DISEASES, AS WELL AS INCREASED INTRA-OCULAR PRESSURE BYK NEDERLAND BV (NL) 1995-07-27 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 GABRA1 692/4885GABRB2 554/4885CYP2D6 728/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.